BO9TI7 -OEChem-04012115522D 46 49 0 0 0 0 0 0 0999 V2000 6.1808 -0.7095 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 -0.6162 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.6808 -1.5755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6808 0.1565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3087 -1.7095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0107 2.4849 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.3679 0.7901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7250 -2.5142 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -0.2095 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0357 0.0458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0142 0.2520 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6785 1.7406 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.7788 -1.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -1.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 -2.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -0.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7250 -0.9048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -2.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -2.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3087 -1.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -0.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -0.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 0.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 0.9929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3249 1.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6570 1.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3034 1.4087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9677 2.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6140 2.3592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9462 3.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -0.0895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5098 -2.5195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -3.3295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9177 -3.1035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 0.4105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0502 -1.1844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8472 -1.1844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9389 1.1999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6187 -2.2464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2478 1.5593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 0.0621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7174 0.9473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5536 3.3588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2207 2.4871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1388 3.6929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 9 1 0 0 0 0 1 14 1 0 0 0 0 2 22 1 0 0 0 0 2 26 1 0 0 0 0 5 20 1 0 0 0 0 5 40 1 0 0 0 0 6 12 1 0 0 0 0 7 12 2 0 0 0 0 8 15 1 0 0 0 0 8 20 1 0 0 0 0 8 35 1 0 0 0 0 9 21 1 0 0 0 0 9 36 1 0 0 0 0 10 11 2 0 0 0 0 10 17 1 0 0 0 0 11 25 1 0 0 0 0 12 27 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 14 16 2 0 0 0 0 14 18 1 0 0 0 0 15 19 1 0 0 0 0 16 32 1 0 0 0 0 17 20 2 0 0 0 0 18 19 2 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 24 26 2 0 0 0 0 24 41 1 0 0 0 0 25 27 1 0 0 0 0 25 28 2 0 0 0 0 26 42 1 0 0 0 0 27 29 2 0 0 0 0 28 30 1 0 0 0 0 28 43 1 0 0 0 0 29 31 1 0 0 0 0 29 44 1 0 0 0 0 30 31 2 0 0 0 0 30 45 1 0 0 0 0 31 46 1 0 0 0 0 M CHG 2 6 -1 12 1 M END $$$$